[gmx-users] Temperature Annealing

[Mark Abraham]

Hi,

What fluctuations were you seeing over the time segments?

Mark

On Mon, 25 Jan 2016 19:25 abdus sabuj <sabujbuetche at gmail.com> wrote:

> Dear gmx users,
>
> I am trying to get viscosity as a function of temperature. So I have put
> the following annealing inputs to the mdp file.
>
> ;simulated anneling
> annealing         = single
> annealing-npoints = 6
> annealing-time    = 0 2000 4000 6000 8000 10000
> annealing-temp    = 300 310 320 330 340 350
>
> i.e, at 10ns, the temperature should be at 350K, right? But I saw after my
> npt simulation that, the last temperature reached at 400K. Why that's
> happening, did I make any mistakes?
>
> Thanks,
> Sabuj
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